4-methyl-2-propan-2-yl-6-[4-[2-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-1-ium

Systemtic Name: 4-methyl-2-propan-2-yl-6-[4-[2-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-1-ium Openeye Name: 2-isopropyl-4-methyl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-1-ium CAS Name: 4-methyl-2-propan-2-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]pyrimidin-1-ium IUPAC Name: 4-methyl-2-propan-2-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-1-ium Traditional Name: 2-isopropyl-4-methyl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazino]pyrimidin-1-ium Formula: C19H24F3N4O3S+ MolecularWeight: 445.47907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C19H23F3N4O3S/c1-13(2)18-23-14(3)12-17(24-18)25-8-10-26(11-9-25)30(27,28)16-7-5-4-6-15(16)29-19(20,21)22/h4-7,12-13H,8-11H2,1-3H3/p+1